SCHEMBL30387134

SCHEMBL30387134

CN1C(=O)CCOc2ccc(C#Cc3cccnc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.47
▸ GRM4 Q14833 1/20 0.44
▸ CYP11B1 P15538 4/20 0.43
▸ CYP11B2 P19099 4/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP17A1 P05093 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GRM5 P41594 9/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25584836 1.00 RIPK1 (0.47) RIPK1GRM4CYP11B1CYP11B2CYP19A1
SCHEMBL23081632 0.91 CYP11B1 (0.51) RIPK1GRM4CYP11B1CYP11B2CYP19A1
SCHEMBL25586411 0.86 GRM5 (0.40) RIPK1CYP11B1CYP11B2GRM5PRMT5
SCHEMBL25584880 0.81 TDP1 (0.47) RIPK1GRM5
SCHEMBL25586388 0.81 NPC1 (0.49) RIPK1GRM5
SCHEMBL25586729 0.80 RIPK1 (0.56) RIPK1GRM5
SCHEMBL25878873 0.79 RIPK1 (0.55) RIPK1GRM5
SCHEMBL25585024 0.79 CYP19A1 (0.49) GRM4CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL23076327 0.78 RIPK1 (0.48) RIPK1CYP3A4CYP1A2GRM5GABRP
SCHEMBL23085715 0.78 RIPK1 (0.45) RIPK1GRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230112865-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME MIDCAP FINANCIAL TRUST 2023-04-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230112865-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 RIPK1 1/4885GRM4 2795/4885CYP11B1 4177/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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